8inh

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ZjOGT3, flavonoid 7,4'-di-O-glycosyltransferaseZjOGT3, flavonoid 7,4'-di-O-glycosyltransferase

Structural highlights

8inh is a 2 chain structure with sequence from Ziziphus jujuba var. spinosa. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.5Å
Ligands:
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

A0A978UT44_ZIZJJ

Publication Abstract from PubMed

A highly efficient and promiscuous 7,4'-di-O-glycosyltransferase ZjOGT3 was discovered from the medicinal plant Ziziphus jujuba var. spinosa. ZjOGT3 could sequentially catalyse 4'- and 7-O-glycosylation of flavones to produce 7,4'-di-O-glycosides with obvious regio-selectivity. For 7,4'-dihydroxyl flavanones and 3-O-glycosylated 7,4'-dihydroxyl flavones, ZjOGT3 selectively catalyses 7-O-glycosylation. The crystal structure of ZjOGT3 was solved. Structural analysis, DFT calculations, MD simulations, and site-directed mutagenesis reveal that the regio-selectivity is mainly controlled by the enzyme microenvironment for 7,4'-dihydroxyl flavones and 3-O-glycosylated 7,4'-dihydroxyl flavones. For 7,4'-dihydroxyl flavanones, the selectivity is mainly controlled by intrinsic reactivity. ZjOGT3 is the first plant flavonoid 7,4'-di-O-glycosyltransferase with a crystal structure. This work could help understand the catalytic mechanisms of multi-site glycosyltransferases and provides an efficient approach to synthesise O-glycosides with medicinal potential.

Functional characterization, structural basis, and regio-selectivity control of a promiscuous flavonoid 7,4'-di-O-glycosyltransferase from Ziziphus jujuba var. spinosa.,Wang ZL, Wei W, Wang HD, Zhou JJ, Wang HT, Chen K, Wang RS, Li FD, Qiao X, Zhou H, Liang Y, Ye M Chem Sci. 2023 Mar 29;14(16):4418-4425. doi: 10.1039/d2sc06504e. eCollection 2023 , Apr 26. PMID:37123177[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

  1. Wang ZL, Wei W, Wang HD, Zhou JJ, Wang HT, Chen K, Wang RS, Li FD, Qiao X, Zhou H, Liang Y, Ye M. Functional characterization, structural basis, and regio-selectivity control of a promiscuous flavonoid 7,4'-di-O-glycosyltransferase from Ziziphus jujuba var. spinosa. Chem Sci. 2023 Mar 29;14(16):4418-4425. PMID:37123177 doi:10.1039/d2sc06504e

8inh, resolution 2.50Å

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OCA